Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27891940 | 0.78 | CES2 (0.46) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL14865013 | 0.78 | TSHR (0.40) | ALOX5ALDH1A1SMN1; SMN2CES2CES1 | |
| SCHEMBL13988109 | 0.76 | CES2 (0.47) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL13026686 | 0.75 | ALOX5 (0.42) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL7607466 | 0.75 | ALOX5 (0.42) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL10340979 | 0.73 | ALOX5 (0.41) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL9215274 | 0.72 | ALOX5 (0.44) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL27482821 | 0.72 | POLB (0.45) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL11483716 | 0.69 | CES2 (0.40) | ALOX5ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL1226719 | 0.69 | ALOX5 (0.41) | ALOX5ALDH1A1RAB9ANPC1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105924425-A | Preparation method of dihydrothiochroman derivative | 浙江师范大学 | 2016-09-07 | — | — | CN | disclosed |